2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide

C18H21N3O2S — CID 86932022

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
SMILESCN(C)Cc1cccc(NC(=O)c2ccccc2SCC(N)=O)c1
InChIInChI=1S/C18H21N3O2S/c1-21(2)11-13-6-5-7-14(10-13)20-18(23)15-8-3-4-9-16(15)24-12-17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyFNEHVOJPMMZCOC-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.58
Rot. Bonds7

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide (PubChem CID 86932022) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
PubChem CID86932022
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
SMILESCN(C)Cc1cccc(NC(=O)c2ccccc2SCC(N)=O)c1
InChIInChI=1S/C18H21N3O2S/c1-21(2)11-13-6-5-7-14(10-13)20-18(23)15-8-3-4-9-16(15)24-12-17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyFNEHVOJPMMZCOC-UHFFFAOYSA-N
XLogP2.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700
N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 37345198
N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790919
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide
CID 134030541
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 17461144
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 86932107
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide (CID 86932022) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide is CN(C)Cc1cccc(NC(=O)c2ccccc2SCC(N)=O)c1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide?
The InChIKey is FNEHVOJPMMZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-21(2)11-13-6-5-7-14(10-13)20-18(23)15-8-3-4-9-16(15)24-12-17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 86932022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).